3NGU
Structure of Leishmania NDKb complexed with ADP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | H 3 2 |
Unit cell lengths | 123.213, 123.213, 137.983 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.000 - 2.290 |
R-factor | 0.2196 |
Rwork | 0.216 |
R-free | 0.28286 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.040 |
RMSD bond angle | 2.934 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 2.380 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.091 | 0.436 |
Number of reflections | 17366 | |
<I/σ(I)> | 1.6 | |
Completeness [%] | 95.3 | 91.2 |
Redundancy | 10.5 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG3350 Sodium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |